3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C10H18N2O6S — CID 79864967

IUPAC3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O6S/c1-12(4-6-19(2,16)17)9(15)11-10(8(13)14)3-5-18-7-10/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLZCQCIVIBBDUPY-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.08
Rot. Bonds5

About 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 79864967) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID79864967
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O6S/c1-12(4-6-19(2,16)17)9(15)11-10(8(13)14)3-5-18-7-10/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLZCQCIVIBBDUPY-UHFFFAOYSA-N
XLogP-1.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
CID 79858879
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64894088
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891249
3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 64894094
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293279
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 79864967) is 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(CCS(C)(=O)=O)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LZCQCIVIBBDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-12(4-6-19(2,16)17)9(15)11-10(8(13)14)3-5-18-7-10/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79864967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).